200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 6123-81-5
6123-81-5 | 1-Benzimidazolepropionitrile,5,6-dimethyl-(7CI,8CI)
CAS No: 6123-81-5 Catalog No: AG00EO6O MDL No:MFCD07774702
Product Description
Catalog Number:
AG00EO6O
Chemical Name:
1-Benzimidazolepropionitrile,5,6-dimethyl-(7CI,8CI)
CAS Number:
6123-81-5
MDL Number:
MFCD07774702
IUPAC Name:
3-(5,6-dimethylbenzimidazol-1-yl)propanenitrile
InChI:
InChI=1S/C12H13N3/c1-9-6-11-12(7-10(9)2)15(8-14-11)5-3-4-13/h6-8H,3,5H2,1-2H3
InChI Key:
YZXFHPGDTAZHOM-UHFFFAOYSA-N
SMILES:
Cc1cc2c(cc1C)ncn2CCC#N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.